(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one

C23H20N2O — CID 139095089

IUPAC(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one
SMILESCc1ccc(/N=C2\NC(=O)c3ccccc3[C@@]2(C)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-16-12-14-18(15-13-16)24-22-23(2,17-8-4-3-5-9-17)20-11-7-6-10-19(20)21(26)25-22/h3-15H,1-2H3,(H,24,25,26)/t23-/m1/s1
InChIKeyVPSGWPVWNDDKPR-HSZRJFAPSA-N
MW340.43 g/mol
LogP4.77
Rot. Bonds2

About (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one

(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one (PubChem CID 139095089) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one
PubChem CID139095089
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one
SMILESCc1ccc(/N=C2\NC(=O)c3ccccc3[C@@]2(C)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-16-12-14-18(15-13-16)24-22-23(2,17-8-4-3-5-9-17)20-11-7-6-10-19(20)21(26)25-22/h3-15H,1-2H3,(H,24,25,26)/t23-/m1/s1
InChIKeyVPSGWPVWNDDKPR-HSZRJFAPSA-N
XLogP4.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one?
The IUPAC name of (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one (CID 139095089) is (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one.
What is the SMILES notation for (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one?
The canonical SMILES for (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one is Cc1ccc(/N=C2\NC(=O)c3ccccc3[C@@]2(C)c2ccccc2)cc1.
What is the InChIKey of (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one?
The InChIKey is VPSGWPVWNDDKPR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-12-14-18(15-13-16)24-22-23(2,17-8-4-3-5-9-17)20-11-7-6-10-19(20)21(26)25-22/h3-15H,1-2H3,(H,24,25,26)/t23-/m1/s1.
What are the key properties of (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one?
(4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one has a molecular weight of 340.43 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-(4-methylphenyl)imino-4-phenylisoquinolin-1-one is sourced from PubChem (CID 139095089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).